6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine

C24H25N3 — CID 86690337

IUPAC6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCCc1[nH]c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc2c1CC
InChIInChI=1S/C24H25N3/c1-5-19-20(6-2)25-24-23(19)26-21(17-11-7-15(3)8-12-17)22(27-24)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3,(H,25,27)
InChIKeyWWNFVIXMGXAOIV-UHFFFAOYSA-N
MW355.49 g/mol
LogP6.03
Rot. Bonds4

About 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine

6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 86690337) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
PubChem CID86690337
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
SMILESCCc1[nH]c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc2c1CC
InChIInChI=1S/C24H25N3/c1-5-19-20(6-2)25-24-23(19)26-21(17-11-7-15(3)8-12-17)22(27-24)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3,(H,25,27)
InChIKeyWWNFVIXMGXAOIV-UHFFFAOYSA-N
XLogP6.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine (CID 86690337) is 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine is CCc1[nH]c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc2c1CC.
What is the InChIKey of 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is WWNFVIXMGXAOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3/c1-5-19-20(6-2)25-24-23(19)26-21(17-11-7-15(3)8-12-17)22(27-24)18-13-9-16(4)10-14-18/h7-14H,5-6H2,1-4H3,(H,25,27).
What are the key properties of 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine?
6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 355.49 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-2,3-bis(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 86690337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).